Information card for entry 1518759

Structure parameters

• Formula: C33 H47 B Cl Ir N2 O2
• Calculated formula: C33 H47 B Cl Ir N2 O2
• Title of publication: Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors
• Authors of publication: Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 2893
• a: 35.4699 ± 0.0014 Å
• b: 10.667 ± 0.0005 Å
• c: 18.1337 ± 0.0008 Å
• α: 90°
• β: 115.404 ± 0.002°
• γ: 90°
• Cell volume: 6197.6 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No